CID 3680242

93767-81-8

Structural Information

Molecular Formula
C20H40N4O6
SMILES
C1COCCOCCN(CCOCCOCCN1C(=O)CCCN)C(=O)CCCN
InChI
InChI=1S/C20H40N4O6/c21-5-1-3-19(25)23-7-11-27-15-17-29-13-9-24(20(26)4-2-6-22)10-14-30-18-16-28-12-8-23/h1-18,21-22H2
InChIKey
WAQDSUZUMBUFAP-UHFFFAOYSA-N
Compound name
4-amino-1-[16-(4-aminobutanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2948 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.30208 210.5
[M+Na]+ 455.28402 207.1
[M-H]- 431.28752 209.6
[M+NH4]+ 450.32862 206.7
[M+K]+ 471.25796 210.2
[M+H-H2O]+ 415.29206 204.1
[M+HCOO]- 477.29300 215.6
[M+CH3COO]- 491.30865 220.6
[M+Na-2H]- 453.26947 206.5
[M]+ 432.29425 200.8
[M]- 432.29535 200.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.